1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one

C18H20O3 — CID 43798628

IUPAC1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one
SMILESCc1ccc(C(=O)C(C)OCCOc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14-8-10-16(11-9-14)18(19)15(2)20-12-13-21-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3
InChIKeyROIXBSPGPLDLLU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.66
Rot. Bonds7

About 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one

1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one (PubChem CID 43798628) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one
PubChem CID43798628
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one
SMILESCc1ccc(C(=O)C(C)OCCOc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14-8-10-16(11-9-14)18(19)15(2)20-12-13-21-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3
InChIKeyROIXBSPGPLDLLU-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenoxyethoxy)propanehydrazide
CID 63586818
1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82954338
1-phenyl-2-propoxypropan-1-one
CID 43801137
2-(2-bromoethoxy)-1-phenylpropan-1-one
CID 54435812
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356
2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
CID 91062489
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
2-phenoxyethyl 2-aminopropanoate
CID 61301873
1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 122366626

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one (CID 43798628) is 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one is Cc1ccc(C(=O)C(C)OCCOc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one?
The InChIKey is ROIXBSPGPLDLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14-8-10-16(11-9-14)18(19)15(2)20-12-13-21-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one?
1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one is sourced from PubChem (CID 43798628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).